CID 101126841

172853-79-1

Structural Information

Molecular Formula
C12H7Cl2F3N2O4
SMILES
C1=C(C(=CC(=C1OCC(=O)O)Cl)F)C2=C(C(=NN2)OC(F)F)Cl
InChI
InChI=1S/C12H7Cl2F3N2O4/c13-5-2-6(15)4(1-7(5)22-3-8(20)21)10-9(14)11(19-18-10)23-12(16)17/h1-2,12H,3H2,(H,18,19)(H,20,21)
InChIKey
WQDDDVPBHKTHAQ-UHFFFAOYSA-N
Compound name
2-[2-chloro-5-[4-chloro-3-(difluoromethoxy)-1H-pyrazol-5-yl]-4-fluorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

369.9735 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98078 165.7
[M+Na]+ 392.96272 177.0
[M-H]- 368.96622 164.0
[M+NH4]+ 388.00732 177.5
[M+K]+ 408.93666 170.5
[M+H-H2O]+ 352.97076 157.0
[M+HCOO]- 414.97170 172.3
[M+CH3COO]- 428.98735 207.6
[M+Na-2H]- 390.94817 163.5
[M]+ 369.97295 168.1
[M]- 369.97405 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.